BENZO(A)PYRENE-7,8-DIHYDRODIOL 9,10-EPOXIDE, ANTI-(±)-

Details

Stereochemistry	RACEMIC
Molecular Formula	C20H14O3
Molecular Weight	302.3234
Optical Activity	( + / - )
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZO(A)PYRENE-7,8-DIHYDRODIOL 9,10-EPOXIDE, ANTI-(±)-

Structure Search

SMILES

O[C@@H]1[C@@H]2O[C@@H]2C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3[C@H]1O

InChI

InChIKey=DQEPMTIXHXSFOR-WCIQWLHISA-N

InChI=1S/C20H14O3/c21-17-13-8-11-5-4-9-2-1-3-10-6-7-12(15(11)14(9)10)16(13)19-20(23-19)18(17)22/h1-8,17-22H/t17-,18+,19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C20H14O3
Molecular Weight	302.3234
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:39:04 GMT 2023` Edited by `admin` on `Sat Dec 16 08:39:04 GMT 2023`
Record UNII	L0951YSJ5E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZO(A)PYRENE-7,8-DIHYDRODIOL 9,10-EPOXIDE, ANTI-(±)-

Common Name

English

BENZO(10,11)CHRYSENO(3,4-B)OXIRENE-7,8-DIOL, 7,8,8A,9A-TETRAHYDRO-, (7.ALPHA.,8.BETA.,8A.ALPHA.,9A.ALPHA.)-

Systematic Name

English

ANTI-BENZO(A)PYRENE-7,8-DIOL-9,10-EPOXIDE, (±)-TRANS-

Common Name

English

(±)-ANTI-BENZO(A)PYRENE-7,8-DIOL-9,10-EPOXIDE

Common Name

English

BENZO(10,11)CHRYSENO(3,4-B)OXIRENE-7,8-DIOL, 7,8,8A,9A-TETRAHYDRO-, (7R,8S,8AS,9AR)-REL-

Systematic Name

English

TRANS-7,8-DIHYDROXY-ANTI-9,10-EPOXY-7,8,9,10-TETRAHYDROBENZO(A)PYRENE

Common Name

English

ANTI-BPDE, (±)-

Common Name

English

(±)-ANTI-BPDE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID9036779

Created by admin on Sat Dec 16 08:39:04 GMT 2023 , Edited by admin on Sat Dec 16 08:39:04 GMT 2023

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PUBCHEM

44461

Created by admin on Sat Dec 16 08:39:04 GMT 2023 , Edited by admin on Sat Dec 16 08:39:04 GMT 2023

PRIMARY

FDA UNII

L0951YSJ5E

Created by admin on Sat Dec 16 08:39:04 GMT 2023 , Edited by admin on Sat Dec 16 08:39:04 GMT 2023

PRIMARY

CAS

58917-67-2

Created by admin on Sat Dec 16 08:39:04 GMT 2023 , Edited by admin on Sat Dec 16 08:39:04 GMT 2023

PRIMARY

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